The discrete-dipole-approximation code ADDA: Capabilities and known limitations

The open-source code ADDA is described, which implements the discrete dipole approximation (DDA), a method to simulate light scattering by finite 3D objects of arbitrary shape and composition. Besides standard sequential execution, ADDA can run on a multiprocessor distributed-memory system, parallelizing a single DDA calculation. Hence the size parameter of the scatterer is in principle limited only by total available memory and computational speed. ADDA is written in C99 and is highly portable. It provides full control over the scattering geometry (particle morphology and orientation, and incident beam) and allows one to calculate a wide variety of integral and angle-resolved scattering quantities (cross sections, the Mueller matrix, etc.). Moreover, ADDA incorporates a range of state-of-the-art DDA improvements, aimed at increasing the accuracy and computational speed of the method. We discuss both physical and computational aspects of the DDA simulations and provide a practical introduction into performing such simulations with the ADDA code. We also present several simulation results, in particular, for a sphere with size parameter 320 (100-wavelength diameter) and refractive index 1.05.     

煤烟聚集粒子的光散射特性研究(英文)

基于分形理论,用计算机模拟了由球形基本粒子构成的煤烟聚集粒子。利用离散偶极子近似方法(Discrete Dipole Approximation)研究了煤烟聚集粒子的散射特性,讨论了分形煤烟聚集粒子的散射强度随煤烟聚集粒子的分形结构、大小、相对折射率及入射波波长变化情况。     

Scattering of an Acoustic Field by Refraction–Density Inhomogeneities with a Small Wave Size and Solution of the Problem of Direct Scattering in an Inhomogeneous Medium

The paper considers acoustic wave scattering by inhomogeneities with a small wave size using the Green’s function apparatus, which makes it possible universally to take into account both the refraction and density components of an inhomogeneity. Estimates for the multipole components of a field scattered by a nonresonance inhomogeneity are presented. For an inhomogeneity with small dimensions, it suffices to consider only monopole and dipole scattering. These conclusions are confirmed by an analysis of the field scattered by a circular cylinder with a small wave radius. The results are used to numerically simulate a Lippmann–Schwinger equation. The form of the discretized matrix Green’s function for identical values of the spatial arguments is presented. This makes it possible to take into account multiple scattering processes within a discretization element with a small wave size. Its use automatically fulfills the relations between the phase and amplitude of secondary acoustic field sources.     

Amplitude and phase of light scattered by micro-scale aggregates of dielectric spheres: Comparison between theory and microwave analogy experiments

Light scattering is a useful diagnostic tool for characterization of particles. Direct scattering measurements for arbitrarily shaped micro-scale particles is difficult due to small-scale limitations. Microwave analogy is a convenient approach to realize such measurements as it enables realization of analogous experiments with larger model particles in a spectral domain where wavelengths are on centimeter scale. In the present study a test model analogous to light scattering by a micro-scale aggregate of dielectric spheres was constructed and experimentally characterized in the microwave regime. Measured amplitude and phase of the scattered field were compared with theoretical predictions obtained from quasi-exact multiple-scattering T-matrix method and discrete dipole approximation (DDA). Excellent agreement demonstrates the validities of both the experiment and the models.     

Computational analysis and diagonal preconditioning for the discrete dipole approximation on surface

The construction of a matrix for the discrete dipole approximation (DDA) on surface and its relationship to an iterative solver is analyzed. It is shown that the spectral characteristics of the DDA for free space and surface correlates to different convergence characteristics. Compared with the free space DDA, when a surface is introduced, both the dipole polarizability matrix and the reflection–interaction matrix contributes to the diagonal/off-diagonal element, and solvability of the iterative method is related to several physical parameters such as incident angle, polarization, and refractive indices. Finally, we propose a diagonal preconditioning technique and show the effectiveness of the preconditioned to a semiconductor pattern with isolated contaminant which is assumed to be PSL, Si₃N₄, and Si. The result shows that when there is difference in the refractive index, the diagonal preconditioning reduces the total computation time up to 27% for low refractive index cases. However the result shows limitation for the higher refractive index cases.     

Polarization of light backscattered by small particles

We study scattering of light by wavelength-scale spherical, cubic, and spheroidal particles as well as clusters of spherical particles for equal-volume-sphere size parameters 4≤x≤10 and refractive indices 1.1≤m≤2.0. Such particles exhibit three specific features in the regime of backscattering: first, the intensity shows a backscattering peak; second, the degree of linear polarization for unpolarized incident light is negative; and, third, the depolarization ratio is double-lobed. We find that the overall characteristics of the scattering-matrix elements can be explained by an internal field composed of waves propagating in opposite directions near the particle perimeter and forming standing waves, as well as a wave propagating forward with the wavelength of the internal medium. When moving from the central axis of the particle toward its perimeter, the internal field changes from a forward-propagating wave with a wavelength dictated by the particle refractive index toward a standing wave with an apparent wavelength of the surrounding medium. The mapping of the internal field to the scattered far field is like an interference dial where rotation of the dial by a quarter of a wavelength on the particle perimeter results in a change from a destructive to constructive interference feature in the angular patterns (or vice versa). The dial is a manifestation of a well-known rule of thumb: the number of maxima or minima in the scattering-matrix elements is given by the size parameter. We explain the backscattering peak as deriving from the backward-propagating internal wave near the particle perimeter. Negative polarization follows from the spatial asymmetry of the internal fields: inside the particle, the fields are amplified near the central plane perpendicular to the polarization state of incident light, resulting in more pronounced interference effects for the perpendicular polarization than for the parallel polarization. The double-lobe feature in the depolarization results from the same internal-field structure with leading cross-polarized fields located slightly different from the copolarized fields. We discuss practical implications of these findings for the retrieval of particle sizes, shapes, and refractive indices from observations and laboratory experiments.     

Scattering and absorption of light by ice particles: Solution by a new physical-geometric optics hybrid method

A new physical-geometric optics hybrid (PGOH) method is developed to compute the scattering and absorption properties of ice particles. This method is suitable for studying the optical properties of ice particles with arbitrary orientations, complex refractive indices (i.e., particles with significant absorption), and size parameters (proportional to the ratio of particle size to incident wavelength) larger than ∼20, and includes consideration of the edge effects necessary for accurate determination of the extinction and absorption efficiencies. Light beams with polygon-shaped cross sections propagate within a particle and are traced by using a beam-splitting technique. The electric field associated with a beam is calculated using a beam-tracing process in which the amplitude and phase variations over the wavefront of the localized wave associated with the beam are considered analytically. The geometric-optics near field for each ray is obtained, and the single-scattering properties of particles are calculated from electromagnetic integral equations. The present method does not assume additional physical simplifications and approximations, except for geometric optics principles, and may be regarded as a “benchmark” within the framework of the geometric optics approach. The computational time is on the order of seconds for a single-orientation simulation and is essentially independent of the size parameter. The single-scattering properties of oriented hexagonal ice particles (ice plates and hexagons) are presented. The numerical results are compared with those computed from the discrete-dipole-approximation (DDA) method.     

团簇自然气溶胶散射相函数的数值分析

针对不同比例的灰尘和海盐团簇自然气溶胶,利用离散偶极子近似(DDA)法,通过考察成分的影响,使用波长为0.55 m,尺度参数变化范围为0.1~25时,研究了散射相函数和激光雷达比的影响,结果表明二者的变化趋势大体相同。尺度参数为13~24时,团簇自然气溶胶散射相函数有明显的后向散射加强,其中尺度参数为18附近,后向散射加强效应最明显。灰尘比海盐对散射相函数影响更大,二者的影响主要集中在尺度参数为15~25范围内,但除了散射角为180附近的后向外,影响的散射角方向略有不同。不同比例下的团簇自然气溶胶激光雷达比在尺度参数为3左右有最大值,其值约为180。在尺度参数为0.2~25范围内,成分对激光雷达比的影响不大,相对偏差小于10%,特别是尺度参数为0.5~2时的影响可以忽略,相对偏差小于1%。     

Light Scattering by Clusters: the Al-Term Method

This paper concerns the theoretical improvement of the discrete dipole approximation (DDA) to provide scattering properties of clusters of spherical monomers. The first scattering coefficient (al-term) in Mie theory is introduced to determine the dipole polarizability used in the DDA. In the al-term method, a spherical monomer in the cluster is replaced by a single dipole. The accuracy of this method is tested to calculate extinction and scattering cross sections by a single sphere, two-touching spheres and three collinear touching spheres. It is found that when each monomer is replaced by a dipole the al-term method is superior to the different types of DDA, e.g., the Lattice Dispersion Relation (LDR), at least for the target with the volume equivalent size parameter X, 0.2≦X≦2. This method also allows treatment of a relatively large sub-volume element which is replaced by a dipole, i.e. the size parameter of the monomer X_m∼1.5. Furthermore, a great reduction in memory requirement and computing time are achieved, e.g. for two touching spheres the al-term method requires only 6% of the total memory requirement and 0.008% of the total computing time for N=8448 with the LDR.Part of this work was done when the author was in the Institute of Physics, GKSS Research Center, Postfach 1160, D-21494 Geesthacht, Germany     

Impact of particle shape on refractive-index dependence of scattering in resonance domain

The impact of particle shape on how scattering, in particular the asymmetry parameter g, depends on the refractive index m is studied. Light scattering simulations for spheres and 16 different spheroids with varying refractive indices and sizes are carried out using an exact T-matrix method to establish how m affects scattering for different shapes. In addition to single shapes, shape distributions of spheroids are used to mimic scattering properties of ensembles of irregularly shaped particles. The results show that Δg resulting from Δm are both size and shape dependent, and spheroids are not universally less or more sensitive to m than the corresponding spheres are. While shape distributions of spheroids show much weaker and much more consistent m-dependence of g than the spheres of the same size, an integration over a size distribution (SD) largely eliminates these differences. Thus, the use of spheres for estimating Δg resulting from Δm for a collection of nonspherical particles appears to be safe except for very narrow SDs. The actual g-values tend to be, however, considerably and consistently in error.     

Optimizing the discrete-dipole approximation for sequences of scatterers with identical shapes but differing sizes or refractive indices

We study scattering of light by small particles with identical shapes but either moderately differing sizes or refractive indices by utilizing the discrete-dipole approximation (DDA). Assuming that accurate DDA solutions are available for either a sequence of sizes or refractive indices, we initialize the iterative conjugate gradient solver for a new size or refractive index by making “educated guesses” of the electric field vectors using classical Lagrange, rational-function, and modified Adams–Bashforth–Moulton extrapolation schemes. In the present pilot study, we assess the initialization schemes for spherical and cubic particles. As compared to the common initialization using the incident electric field, we show that careful extrapolation can significantly reduce the number of iterations. At best, the computing time can decrease by an order of magnitude whereas, typically, the improvement is some tens of percent for sizes comparable to the wavelength. In solving large numbers of single-particle scattering problems, initialization via extrapolation can yield substantial savings in computing time. In particular, the present approach should prove useful when the precise scatterer sizes and refractive indices are unknown, e.g., when interpreting astronomical observations of atmosphereless solar-system objects and experimental measurements.     

Simultaneous determination of particle size and refractive index by time-resolved Mie scattering

With this numerical study we have investigated the pulse-induced and time-resolved Mie scattering with the aim of determining the size and the refractive index of transparent spherical particles simultaneously. The temporal interval between the scattering light signals of two different orders of scattered light allows only particle sizing. But if it is possible to detect three different orders of scattered light, then we have two independent time intervals. This situation is given if the detector has a position about θ=90°. With these scattering angle signals of reflection and refraction of 1st and 3rd order appear with approximately the same intensity. Then the numerical quotient of the two temporal intervals between these scattering orders is a function of the refractive index only. We have calculated these specific quotients by models of geometric optics for 1.1≤m≤1.6 and 75°≤θ≤90° and have seen that there is a very high agreement with the results of time-resolved Mie calculations.     

Extending the applicability of the discrete dipole approximation for multi-scale features on surface

Many problems in science and engineering involve significant physical entities and processes that span a substantial range of dimensions. In the case of characterization of bacteria on growth media using light scattering the length scales of interest can be classified as micro-scale (single bacterium), macro-scale (bacterial colonies of more than 10¹² bacterium that have passed through the exponential growth phase and reached mm size), and the intermediate or meso-scale of several tens of hundreds of bacteria. Light scattering approaches, to be effective in determining physical properties such as morphology and material composition, must comprehend this spectrum of length scales. The discrete dipole approximation (DDA), a powerful modeling tool for rigorous 3-D vector scattering, has shown its capability to predict the light scattering from micro-scale objects. To be able to accommodate meso-scale objects, we need to extend the computational limits of the DDA method such that it could compute object sizes of 10λ-30λ characteristic dimension (i.e. volumes of 10³-10⁴ cubic wavelengths). To accomplish this, an analysis of the DDA method was performed for meso-scale cases of interest especially in biological applications. Based on this study, we propose new Sommerfeld integration paths and a revised iterative algorithm that combine to provide substantial improvements in the size of the computational domain that can be modeled for a given convergence criterion.     

随机分布黑碳-硅酸盐混合凝聚粒子的消光特性研究

基于分形理论,采用蒙特卡罗方法对随机分布的混合凝聚粒子的空间结构进行了仿真模拟。利用Bruggeman有效介质理论得到了占有不同体积份额黑碳的内混合凝聚粒子的等效复折射率。采用离散偶极子近似方法对随机分布混合凝聚粒子在内外混合状态下的吸收、散射和消光效率因子等消光特性参量进行了数值计算,深入探讨了混合方式、容积含量、入射波长以及基本粒子粒径和数量对混合凝聚粒子消光特性的影响规律。通过将所得数值结果与T矩阵方法的数值结果进行比较发现,两种数值方法计算的结果非常相近。结果表明,随机分布混合凝聚粒子的散射效率因子对混合方式非常敏感,消光效率因子对混合方式较敏感,而吸收效率因子对混合方式不敏感。随着凝聚粒子尺度参数的增大,混合方式对散射和消光效率因子的影响逐渐显著。内外混合方式下,随着黑碳体积比的增大随机分布混合凝聚粒子的吸收、散射和消光效率因子均近似线性增大,并且增大的幅度随着粒子尺度参数的增大而增大。     

Model of interaction between decameter-decimenter radio waves and a strongly inhomogeneous mid-latitude ionosphere

A model of decameter-decimeter radio wave propagation in a strongly inhomogeneous mid-latitude ionosphere is constructed using a modified method of radio wave refractive scattering. The model establishes the relationship between the basic statistical radio wave characteristics and the turbulence parameters of the upper ionosphere. Different aspects of the theory of radio wave refractive scattering are considered in application to the study of amplitude and phase fluctuations of decameter-decimeter radio waves propagating in a three-dimensional randomly inhomogeneous ionosphere with an arbitrary electron density distribution. Radiophysical Research Institute, Nizhny Novgorod, Russia. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 40, No. 11, pp. 1323–1341, November, 1997.     

Interpretation of photo-polarimetric observations of comet 17P/Holmes

We present multispectral photo-polarimetric observations of comet 17P/Holmes taken at three different dates. These observations show the evolution of the negative polarization branch (NPB) as a function of time and wavelength. We perform discrete-dipole approximation (DDA) simulations on agglomerated debris particles of various sizes and refractive indices. Our simulations show that the observations are consistent with the cloud being composed of agglomerated debris particles having refractive indices of approximately m=1.5-1.6+0.1i. Our results are also consistent with the particles obeying a power-law size distribution r^-a and having a lower particle-radius cut-off of approximately 0.6 μm, where the index a∼3.5 for the early observations and shrinks to a∼1.5 for the later observations. This is consistent with the smaller, more accelerated particles in the distribution being propelled out of the field of view.     

Angular structure of radiation scattered by monolayer of polydisperse droplets of nematic liquid crystal

We considered light scattering by a polydisperse ensemble of droplets of a nematic liquid crystal. To model light scattering by a monolayer of polymer-dispersed spherical droplets of a nematic liquid crystal with cylindrical symmetry of its internal structure, we proposed a semianalytical modeling method. The method is based on interference approximation of the theory of multiple wave scattering, anomalous diffraction approximation, and effective-medium approximation. The method takes into account cooperative optical effects in concentrated, partially ordered layers and can be used to analyze the small-angle structure of the intensity of scattered radiation in relation to the concentration, size, polydispersity of liquid crystal droplets, orientation of their optical axes, and refractive indices of the liquid crystal and polymer. The obtained relations can be applied to solving direct and inverse problems of light scattering in composite liquid crystal materials using data of polarization measurements. We present graphical results of solving the direct problem for components of the polarization vector of scattered wave. These results illustrate the formation of an angular structure for monolayers with a high concentration of polydisperse droplets of the liquid crystal in the range of small scattering angles (0 < θ _s ≤ 8°).     

双层散射介质的单次后向散射光谱分析

从上皮组织的结构特点出发,基于米氏(Mie)散射理论,建立了双层散射介质的单次后向散射光谱的理论模型,该模型通过偏振门屏蔽来自下层的噪声背景,只保留来自上层的单次散射光。计算分析了粒子的形态学参量如平均尺寸及其分布、相对折射率变化时,单次散射光谱的特征。并用傅里叶波形分析法研究了这些参量对单次后向散射光谱曲线形状及其谐波幅值的影响。结果表明,这些只经历了表层粒子单次散射的光谱信号对表层粒子的平均尺寸及其分布、相对折射率具有灵敏性。对光谱曲线波纹结构的幅值、频率,散射强度,光谱谐波的幅值有直接的影响。研究结果对早期癌症的散射光谱特征识别及其特征提取有重要的实用价值。     

Double-resonant extremely asymmetrical scattering of electromagnetic waves in non-uniform periodic arrays

A new type of Bragg scattering – double-resonant extremely asymmetrical scattering (DEAS) of optical waves in oblique, non-uniform, periodic Bragg arrays is analysed theoretically and numerically. Steady-state DEAS is demonstrated to occur in the extremely asymmetrical geometry where the scattered wave propagates parallel to the front array boundary. The non-uniform array is represented by two joint uniform, strip-like, periodic arrays with different phases (and amplitudes) of the grating. DEAS is characterised by a unique combination of two simultaneous resonances with respect to frequency and phase variation at the interface between the joint arrays. As a result, a strong resonant increase in the scattered wave amplitude compared with the amplitude of the incident wave is predicted and investigated theoretically. The amplitude of the incident wave inside the array is also shown to increase resonantly in the middle of the array where the step-like variation in the phase of the grating takes place. The effect of different widths of the joint arrays, and magnitudes of the grating amplitudes on DEAS is analysed. Physical explanations of this type of scattering, based on the diffractional divergence of the scattered wave from one of the joint arrays into another, are presented.     

一种内混合气溶胶粒子模型光散射的等效性

以包含灰尘、黑碳和水三种成分的单分散内混合初次气溶胶为例,利用消光、吸收、散射效率因子和不对称因子,探讨了以等效折射率描述具有不同成分的内混合气溶胶粒子系统的适用性。结果表明,在尺度参数为0.1～25时不同半径比下,消光、吸收和散射效率因子的等效性较好,相对误差分别在3%、3%和4%以内;不对称因子的等效性相对稍差,相对误差在13%以内。当半径比a/b小于1/5,即内混合体中所含灰尘和黑碳较少时,等效折射率实部和虚部值基本可以确定,而不必考虑尺度参数的影响。用除散射相函数之外的其他光学量来等效时,较为容易找到等效的气溶胶粒子。